CID 3994

4-(dimethylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]benzamide

Structural Information

Molecular Formula
C16H25N3O3
SMILES
CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NO
InChI
InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
InChIKey
MXWDSZWTBOCWBK-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

328
Patents

307.1896 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.196876 175.7
[M+Na]+ 330.178818 178.0
[M-H]- 306.182324 178.3
[M+NH4]+ 325.223423 189.3
[M+K]+ 346.152758 176.5
[M+H-H2O]+ 290.186860 167.3
[M+HCOO]- 352.187801 199.0
[M+CH3COO]- 366.203451 214.5
[M+Na-2H]- 328.164266 176.7
[M]+ 307.18905142 176.9
[M]- 307.19014858 176.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe